3-ethyl-5,5-dimethyl-4-phenylcyclohexa-1,3-dien-1-amine

C16H21N — CID 159393837

IUPAC3-ethyl-5,5-dimethyl-4-phenylcyclohexa-1,3-dien-1-amine
SMILESCCC1=C(c2ccccc2)C(C)(C)CC(N)=C1
InChIInChI=1S/C16H21N/c1-4-12-10-14(17)11-16(2,3)15(12)13-8-6-5-7-9-13/h5-10H,4,11,17H2,1-3H3
InChIKeyRBQYYPAYMSKKHK-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.12
Rot. Bonds2

About 3-ethyl-5,5-dimethyl-4-phenylcyclohexa-1,3-dien-1-amine

3-ethyl-5,5-dimethyl-4-phenylcyclohexa-1,3-dien-1-amine (PubChem CID 159393837) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-ethyl-5,5-dimethyl-4-phenylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name3-ethyl-5,5-dimethyl-4-phenylcyclohexa-1,3-dien-1-amine
PubChem CID159393837
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name3-ethyl-5,5-dimethyl-4-phenylcyclohexa-1,3-dien-1-amine
SMILESCCC1=C(c2ccccc2)C(C)(C)CC(N)=C1
InChIInChI=1S/C16H21N/c1-4-12-10-14(17)11-16(2,3)15(12)13-8-6-5-7-9-13/h5-10H,4,11,17H2,1-3H3
InChIKeyRBQYYPAYMSKKHK-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-6,6-dimethyl-1-phenylcyclohexa-1,3-diene
CID 150694996
3,3-dimethyl-5-phenylcyclohexa-1,5-dien-1-amine
CID 172827488
1,1'-biphenyl;methanol;propane
CID 91033003
azane;1,1'-biphenyl;butane
CID 155168826
(3-methyl-2-phenyl-3-prop-2-enylcyclopropen-1-yl)benzene
CID 12584652
5,5-dimethyl-3-phenylcyclohex-2-en-1-amine
CID 65176854
benzene;1,1'-biphenyl;ethane
CID 158550617
(2-ethylcyclopenta-1,3-dien-1-yl)benzene
CID 139667599
bis(1,1'-biphenyl);ethane;methanamine;N-methylmethanamine
CID 161455476
benzene;tris(1,1'-biphenyl)
CID 162155747
3,4-diethylcyclohexa-1,3-dien-1-amine
CID 143938092
(2-ethyl-4,4-dimethylcyclohexen-1-yl)benzene
CID 59224827

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,5-dimethyl-4-phenylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 3-ethyl-5,5-dimethyl-4-phenylcyclohexa-1,3-dien-1-amine (CID 159393837) is 3-ethyl-5,5-dimethyl-4-phenylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 3-ethyl-5,5-dimethyl-4-phenylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 3-ethyl-5,5-dimethyl-4-phenylcyclohexa-1,3-dien-1-amine is CCC1=C(c2ccccc2)C(C)(C)CC(N)=C1.
What is the InChIKey of 3-ethyl-5,5-dimethyl-4-phenylcyclohexa-1,3-dien-1-amine?
The InChIKey is RBQYYPAYMSKKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-4-12-10-14(17)11-16(2,3)15(12)13-8-6-5-7-9-13/h5-10H,4,11,17H2,1-3H3.
What are the key properties of 3-ethyl-5,5-dimethyl-4-phenylcyclohexa-1,3-dien-1-amine?
3-ethyl-5,5-dimethyl-4-phenylcyclohexa-1,3-dien-1-amine has a molecular weight of 227.35 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,5-dimethyl-4-phenylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 159393837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).